5-[(phenylmethyl)amino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[(phenylmethyl)amino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(benzylamino)-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[(phenylmethyl)amino]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(benzylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(benzylamino)-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N4O3S/c23-15-20-22(24-16-17-7-3-1-4-8-17)29-21(25-20)18-9-11-19(12-10-18)30(27,28)26-13-5-2-6-14-26/h1,3-4,7-12,24H,2,5-6,13-14,16H2